2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]acetic acid

C10H16N4O3 — CID 136958840

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O3/c1-6(2)3-14(4-7(15)16)9-8(11)10(17)13-5-12-9/h5-6H,3-4,11H2,1-2H3,(H,15,16)(H,12,13,17)
InChIKeyYTLSZUAMYSUPLH-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.10
Rot. Bonds5

About 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]acetic acid

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]acetic acid (PubChem CID 136958840) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]acetic acid
PubChem CID136958840
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O3/c1-6(2)3-14(4-7(15)16)9-8(11)10(17)13-5-12-9/h5-6H,3-4,11H2,1-2H3,(H,15,16)(H,12,13,17)
InChIKeyYTLSZUAMYSUPLH-UHFFFAOYSA-N
XLogP-0.10
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]acetic acid (CID 136958840) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)c1nc[nH]c(=O)c1N.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is YTLSZUAMYSUPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6(2)3-14(4-7(15)16)9-8(11)10(17)13-5-12-9/h5-6H,3-4,11H2,1-2H3,(H,15,16)(H,12,13,17).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]acetic acid?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 240.26 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 136958840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).